CID 50419

69353-18-0

Structural Information

Molecular Formula
C11H15ClN2O2
SMILES
C1=CC=C(C=C1)CCNNC(=O)OCCCl
InChI
InChI=1S/C11H15ClN2O2/c12-7-9-16-11(15)14-13-8-6-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)
InChIKey
QWNOOFAKMVTLJK-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(2-phenylethylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0822 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.089476 153.2
[M+Na]+ 265.071418 158.9
[M-H]- 241.074924 156.1
[M+NH4]+ 260.116023 170.8
[M+K]+ 281.045358 155.2
[M+H-H2O]+ 225.079460 147.0
[M+HCOO]- 287.080401 174.3
[M+CH3COO]- 301.096051 193.6
[M+Na-2H]- 263.056866 159.2
[M]+ 242.08165142 155.8
[M]- 242.08274858 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.